5-fluoro-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrimidine

C11H16FN3 — CID 71100553

IUPAC5-fluoro-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrimidine
SMILESCC(C)N1CCC[C@H]1c1ncc(F)cn1
InChIInChI=1S/C11H16FN3/c1-8(2)15-5-3-4-10(15)11-13-6-9(12)7-14-11/h6-8,10H,3-5H2,1-2H3/t10-/m0/s1
InChIKeyLRJBQUZMCBLNHI-JTQLQIEISA-N
MW209.27 g/mol
LogP2.16
Rot. Bonds2

About 5-fluoro-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrimidine

5-fluoro-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrimidine (PubChem CID 71100553) has the molecular formula C11H16FN3 and a molecular weight of 209.27 g/mol. Its IUPAC name is 5-fluoro-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrimidine
PubChem CID71100553
Molecular FormulaC11H16FN3
Molecular Weight209.27 g/mol
Exact Mass209.13
IUPAC Name5-fluoro-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrimidine
SMILESCC(C)N1CCC[C@H]1c1ncc(F)cn1
InChIInChI=1S/C11H16FN3/c1-8(2)15-5-3-4-10(15)11-13-6-9(12)7-14-11/h6-8,10H,3-5H2,1-2H3/t10-/m0/s1
InChIKeyLRJBQUZMCBLNHI-JTQLQIEISA-N
XLogP2.16
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-1-propan-2-ylpyrrolidin-2-yl]pyrimidine
CID 89274443
2-chloro-5-fluoro-3-(1-propan-2-ylpyrrolidin-2-yl)pyridine
CID 129075345
(2R)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine
CID 124501109
(2R)-2-(2,5-difluorophenyl)-1-propan-2-ylpyrrolidine
CID 166802320
2-chloro-5-(1-propan-2-ylpyrrolidin-2-yl)pyridine
CID 102539185
3-[(2R)-1-propan-2-ylpyrrolidin-2-yl]quinoline
CID 124500180
3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-amine
CID 115079719
2-(4-cyclopropylphenyl)-1-propan-2-ylpyrrolidine
CID 167249235
N-cyclopentyl-5-(1-propan-2-ylpyrrolidin-2-yl)pyridin-2-amine
CID 102540450
3-(1-propan-2-ylpyrrolidin-2-yl)imidazo[1,5-a]pyridin-5-ol
CID 117141571
2-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-oxazol-5-yl]propan-1-ol
CID 115085869
1-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-oxazol-5-yl]ethanol
CID 115085814

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrimidine?
The IUPAC name of 5-fluoro-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrimidine (CID 71100553) is 5-fluoro-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrimidine.
What is the SMILES notation for 5-fluoro-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrimidine?
The canonical SMILES for 5-fluoro-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrimidine is CC(C)N1CCC[C@H]1c1ncc(F)cn1.
What is the InChIKey of 5-fluoro-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrimidine?
The InChIKey is LRJBQUZMCBLNHI-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16FN3/c1-8(2)15-5-3-4-10(15)11-13-6-9(12)7-14-11/h6-8,10H,3-5H2,1-2H3/t10-/m0/s1.
What are the key properties of 5-fluoro-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrimidine?
5-fluoro-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrimidine has a molecular weight of 209.27 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrimidine is sourced from PubChem (CID 71100553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).